2,2-dimethyl-1,1-bis(1,3-thiazol-2-yl)propan-1-ol;bis(2,2-dimethyl-1,1-dipyridin-2-ylpropan-1-ol);2,2-dimethyl-1,1-dipyridin-3-ylpropan-1-ol;2,2-dimethyl-1-(6-methyl-2-pyridinyl)-1-(oxolan-2-yl)propan-1-ol;2,2-dimethyl-1-(oxolan-2-yl)-1-pyridazin-3-ylpropan-1-ol;2,2-dimethyl-1-phenyl-1-pyridin-2-ylpropan-1-ol;2,2-dimethyl-1-phenyl-1-pyridin-3-ylpropan-1-ol;2,2-dimethyl-1-pyrazin-2-yl-1-pyridin-2-ylpropan-1-ol;2,2-dimethyl-1-pyridazin-3-yl-1-pyridin-2-ylpropan-1-ol;bis(2,2-dimethyl-1-pyridin-2-yl-1-pyridin-3-ylpropan-1-ol);2,2-dimethyl-1-pyridin-2-yl-1-pyrimidin-2-ylpropan-1-ol;2,2-dimethyl-1-pyridin-2-yl-1-(1,3-thiazol-2-yl)propan-1-ol

C201H252N28O16S3 — CID 158589648

IUPAC2,2-dimethyl-1,1-bis(1,3-thiazol-2-yl)propan-1-ol;bis(2,2-dimethyl-1,1-dipyridin-2-ylpropan-1-ol);2,2-dimethyl-1,1-dipyridin-3-ylpropan-1-ol;2,2-dimethyl-1-(6-methyl-2-pyridinyl)-1-(oxolan-2-yl)propan-1-ol;2,2-dimethyl-1-(oxolan-2-yl)-1-pyridazin-3-ylpropan-1-ol;2,2-dimethyl-1-phenyl-1-pyridin-2-ylpropan-1-ol;2,2-dimethyl-1-phenyl-1-pyridin-3-ylpropan-1-ol;2,2-dimethyl-1-pyrazin-2-yl-1-pyridin-2-ylpropan-1-ol;2,2-dimethyl-1-pyridazin-3-yl-1-pyridin-2-ylpropan-1-ol;bis(2,2-dimethyl-1-pyridin-2-yl-1-pyridin-3-ylpropan-1-ol);2,2-dimethyl-1-pyridin-2-yl-1-pyrimidin-2-ylpropan-1-ol;2,2-dimethyl-1-pyridin-2-yl-1-(1,3-thiazol-2-yl)propan-1-ol
SMILESCC(C)(C)C(O)(c1ccccc1)c1ccccn1.CC(C)(C)C(O)(c1ccccc1)c1cccnc1.CC(C)(C)C(O)(c1ccccn1)c1ccccn1.CC(C)(C)C(O)(c1ccccn1)c1ccccn1.CC(C)(C)C(O)(c1ccccn1)c1cccnn1.CC(C)(C)C(O)(c1ccccn1)c1cnccn1.CC(C)(C)C(O)(c1ccccn1)c1ncccn1.CC(C)(C)C(O)(c1ccccn1)c1nccs1.CC(C)(C)C(O)(c1cccnc1)c1ccccn1.CC(C)(C)C(O)(c1cccnc1)c1ccccn1.CC(C)(C)C(O)(c1cccnc1)c1cccnc1.CC(C)(C)C(O)(c1cccnn1)C1CCCO1.CC(C)(C)C(O)(c1nccs1)c1nccs1.Cc1cccc(C(O)(C2CCCO2)C(C)(C)C)n1
InChIInChI=1S/2C16H19NO.5C15H18N2O.C15H23NO2.3C14H17N3O.C13H20N2O2.C13H16N2OS.C11H14N2OS2/c1-15(2,3)16(18,13-9-5-4-6-10-13)14-11-7-8-12-17-14;1-15(2,3)16(18,13-8-5-4-6-9-13)14-10-7-11-17-12-14;1-14(2,3)15(18,12-6-4-8-16-10-12)13-7-5-9-17-11-13;2*1-14(2,3)15(18,12-8-4-6-10-16-12)13-9-5-7-11-17-13;2*1-14(2,3)15(18,12-7-6-9-16-11-12)13-8-4-5-10-17-13;1-11-7-5-8-12(16-11)15(17,14(2,3)4)13-9-6-10-18-13;1-13(2,3)14(18,11-7-4-5-9-15-11)12-8-6-10-16-17-12;1-13(2,3)14(18,11-7-4-5-8-15-11)12-16-9-6-10-17-12;1-13(2,3)14(18,11-6-4-5-7-16-11)12-10-15-8-9-17-12;1-12(2,3)13(16,11-7-5-9-17-11)10-6-4-8-14-15-10;1-12(2,3)13(16,11-15-8-9-17-11)10-6-4-5-7-14-10;1-10(2,3)11(14,8-12-4-6-15-8)9-13-5-7-16-9/h2*4-12,18H,1-3H3;5*4-11,18H,1-3H3;5,7-8,13,17H,6,9-10H2,1-4H3;3*4-10,18H,1-3H3;4,6,8,11,16H,5,7,9H2,1-3H3;4-9,16H,1-3H3;4-7,14H,1-3H3
InChIKeyHUHCFSMVSGSJID-UHFFFAOYSA-N
MW3412.61 g/mol
LogP37.37
Rot. Bonds28

About 2,2-dimethyl-1,1-bis(1,3-thiazol-2-yl)propan-1-ol;bis(2,2-dimethyl-1,1-dipyridin-2-ylpropan-1-ol);2,2-dimethyl-1,1-dipyridin-3-ylpropan-1-ol;2,2-dimethyl-1-(6-methyl-2-pyridinyl)-1-(oxolan-2-yl)propan-1-ol;2,2-dimethyl-1-(oxolan-2-yl)-1-pyridazin-3-ylpropan-1-ol;2,2-dimethyl-1-phenyl-1-pyridin-2-ylpropan-1-ol;2,2-dimethyl-1-phenyl-1-pyridin-3-ylpropan-1-ol;2,2-dimethyl-1-pyrazin-2-yl-1-pyridin-2-ylpropan-1-ol;2,2-dimethyl-1-pyridazin-3-yl-1-pyridin-2-ylpropan-1-ol;bis(2,2-dimethyl-1-pyridin-2-yl-1-pyridin-3-ylpropan-1-ol);2,2-dimethyl-1-pyridin-2-yl-1-pyrimidin-2-ylpropan-1-ol;2,2-dimethyl-1-pyridin-2-yl-1-(1,3-thiazol-2-yl)propan-1-ol

2,2-dimethyl-1,1-bis(1,3-thiazol-2-yl)propan-1-ol;bis(2,2-dimethyl-1,1-dipyridin-2-ylpropan-1-ol);2,2-dimethyl-1,1-dipyridin-3-ylpropan-1-ol;2,2-dimethyl-1-(6-methyl-2-pyridinyl)-1-(oxolan-2-yl)propan-1-ol;2,2-dimethyl-1-(oxolan-2-yl)-1-pyridazin-3-ylpropan-1-ol;2,2-dimethyl-1-phenyl-1-pyridin-2-ylpropan-1-ol;2,2-dimethyl-1-phenyl-1-pyridin-3-ylpropan-1-ol;2,2-dimethyl-1-pyrazin-2-yl-1-pyridin-2-ylpropan-1-ol;2,2-dimethyl-1-pyridazin-3-yl-1-pyridin-2-ylpropan-1-ol;bis(2,2-dimethyl-1-pyridin-2-yl-1-pyridin-3-ylpropan-1-ol);2,2-dimethyl-1-pyridin-2-yl-1-pyrimidin-2-ylpropan-1-ol;2,2-dimethyl-1-pyridin-2-yl-1-(1,3-thiazol-2-yl)propan-1-ol (PubChem CID 158589648) has the molecular formula C201H252N28O16S3 and a molecular weight of 3412.61 g/mol. Its IUPAC name is 2,2-dimethyl-1,1-bis(1,3-thiazol-2-yl)propan-1-ol;bis(2,2-dimethyl-1,1-dipyridin-2-ylpropan-1-ol);2,2-dimethyl-1,1-dipyridin-3-ylpropan-1-ol;2,2-dimethyl-1-(6-methyl-2-pyridinyl)-1-(oxolan-2-yl)propan-1-ol;2,2-dimethyl-1-(oxolan-2-yl)-1-pyridazin-3-ylpropan-1-ol;2,2-dimethyl-1-phenyl-1-pyridin-2-ylpropan-1-ol;2,2-dimethyl-1-phenyl-1-pyridin-3-ylpropan-1-ol;2,2-dimethyl-1-pyrazin-2-yl-1-pyridin-2-ylpropan-1-ol;2,2-dimethyl-1-pyridazin-3-yl-1-pyridin-2-ylpropan-1-ol;bis(2,2-dimethyl-1-pyridin-2-yl-1-pyridin-3-ylpropan-1-ol);2,2-dimethyl-1-pyridin-2-yl-1-pyrimidin-2-ylpropan-1-ol;2,2-dimethyl-1-pyridin-2-yl-1-(1,3-thiazol-2-yl)propan-1-ol.

Molecular Properties

Compound Name2,2-dimethyl-1,1-bis(1,3-thiazol-2-yl)propan-1-ol;bis(2,2-dimethyl-1,1-dipyridin-2-ylpropan-1-ol);2,2-dimethyl-1,1-dipyridin-3-ylpropan-1-ol;2,2-dimethyl-1-(6-methyl-2-pyridinyl)-1-(oxolan-2-yl)propan-1-ol;2,2-dimethyl-1-(oxolan-2-yl)-1-pyridazin-3-ylpropan-1-ol;2,2-dimethyl-1-phenyl-1-pyridin-2-ylpropan-1-ol;2,2-dimethyl-1-phenyl-1-pyridin-3-ylpropan-1-ol;2,2-dimethyl-1-pyrazin-2-yl-1-pyridin-2-ylpropan-1-ol;2,2-dimethyl-1-pyridazin-3-yl-1-pyridin-2-ylpropan-1-ol;bis(2,2-dimethyl-1-pyridin-2-yl-1-pyridin-3-ylpropan-1-ol);2,2-dimethyl-1-pyridin-2-yl-1-pyrimidin-2-ylpropan-1-ol;2,2-dimethyl-1-pyridin-2-yl-1-(1,3-thiazol-2-yl)propan-1-ol
PubChem CID158589648
Molecular FormulaC201H252N28O16S3
Molecular Weight3412.61 g/mol
Exact Mass3409.89
IUPAC Name2,2-dimethyl-1,1-bis(1,3-thiazol-2-yl)propan-1-ol;bis(2,2-dimethyl-1,1-dipyridin-2-ylpropan-1-ol);2,2-dimethyl-1,1-dipyridin-3-ylpropan-1-ol;2,2-dimethyl-1-(6-methyl-2-pyridinyl)-1-(oxolan-2-yl)propan-1-ol;2,2-dimethyl-1-(oxolan-2-yl)-1-pyridazin-3-ylpropan-1-ol;2,2-dimethyl-1-phenyl-1-pyridin-2-ylpropan-1-ol;2,2-dimethyl-1-phenyl-1-pyridin-3-ylpropan-1-ol;2,2-dimethyl-1-pyrazin-2-yl-1-pyridin-2-ylpropan-1-ol;2,2-dimethyl-1-pyridazin-3-yl-1-pyridin-2-ylpropan-1-ol;bis(2,2-dimethyl-1-pyridin-2-yl-1-pyridin-3-ylpropan-1-ol);2,2-dimethyl-1-pyridin-2-yl-1-pyrimidin-2-ylpropan-1-ol;2,2-dimethyl-1-pyridin-2-yl-1-(1,3-thiazol-2-yl)propan-1-ol
SMILESCC(C)(C)C(O)(c1ccccc1)c1ccccn1.CC(C)(C)C(O)(c1ccccc1)c1cccnc1.CC(C)(C)C(O)(c1ccccn1)c1ccccn1.CC(C)(C)C(O)(c1ccccn1)c1ccccn1.CC(C)(C)C(O)(c1ccccn1)c1cccnn1.CC(C)(C)C(O)(c1ccccn1)c1cnccn1.CC(C)(C)C(O)(c1ccccn1)c1ncccn1.CC(C)(C)C(O)(c1ccccn1)c1nccs1.CC(C)(C)C(O)(c1cccnc1)c1ccccn1.CC(C)(C)C(O)(c1cccnc1)c1ccccn1.CC(C)(C)C(O)(c1cccnc1)c1cccnc1.CC(C)(C)C(O)(c1cccnn1)C1CCCO1.CC(C)(C)C(O)(c1nccs1)c1nccs1.Cc1cccc(C(O)(C2CCCO2)C(C)(C)C)n1
InChIInChI=1S/2C16H19NO.5C15H18N2O.C15H23NO2.3C14H17N3O.C13H20N2O2.C13H16N2OS.C11H14N2OS2/c1-15(2,3)16(18,13-9-5-4-6-10-13)14-11-7-8-12-17-14;1-15(2,3)16(18,13-8-5-4-6-9-13)14-10-7-11-17-12-14;1-14(2,3)15(18,12-6-4-8-16-10-12)13-7-5-9-17-11-13;2*1-14(2,3)15(18,12-8-4-6-10-16-12)13-9-5-7-11-17-13;2*1-14(2,3)15(18,12-7-6-9-16-11-12)13-8-4-5-10-17-13;1-11-7-5-8-12(16-11)15(17,14(2,3)4)13-9-6-10-18-13;1-13(2,3)14(18,11-7-4-5-9-15-11)12-8-6-10-16-17-12;1-13(2,3)14(18,11-7-4-5-8-15-11)12-16-9-6-10-17-12;1-13(2,3)14(18,11-6-4-5-7-16-11)12-10-15-8-9-17-12;1-12(2,3)13(16,11-7-5-9-17-11)10-6-4-8-14-15-10;1-12(2,3)13(16,11-15-8-9-17-11)10-6-4-5-7-14-10;1-10(2,3)11(14,8-12-4-6-15-8)9-13-5-7-16-9/h2*4-12,18H,1-3H3;5*4-11,18H,1-3H3;5,7-8,13,17H,6,9-10H2,1-4H3;3*4-10,18H,1-3H3;4,6,8,11,16H,5,7,9H2,1-3H3;4-9,16H,1-3H3;4-7,14H,1-3H3
InChIKeyHUHCFSMVSGSJID-UHFFFAOYSA-N
XLogP37.37
TPSA662.60 Ų
H-Bond Donors14
H-Bond Acceptors47
Rotatable Bonds28
Heavy Atoms248
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003412.61
LogP ≤ 537.37
H-Bond Donors ≤ 514
H-Bond Acceptors ≤ 1047

Analyze 2,2-dimethyl-1,1-bis(1,3-thiazol-2-yl)propan-1-ol;bis(2,2-dimethyl-1,1-dipyridin-2-ylpropan-1-ol);2,2-dimethyl-1,1-dipyridin-3-ylpropan-1-ol;2,2-dimethyl-1-(6-methyl-2-pyridinyl)-1-(oxolan-2-yl)propan-1-ol;2,2-dimethyl-1-(oxolan-2-yl)-1-pyridazin-3-ylpropan-1-ol;2,2-dimethyl-1-phenyl-1-pyridin-2-ylpropan-1-ol;2,2-dimethyl-1-phenyl-1-pyridin-3-ylpropan-1-ol;2,2-dimethyl-1-pyrazin-2-yl-1-pyridin-2-ylpropan-1-ol;2,2-dimethyl-1-pyridazin-3-yl-1-pyridin-2-ylpropan-1-ol;bis(2,2-dimethyl-1-pyridin-2-yl-1-pyridin-3-ylpropan-1-ol);2,2-dimethyl-1-pyridin-2-yl-1-pyrimidin-2-ylpropan-1-ol;2,2-dimethyl-1-pyridin-2-yl-1-(1,3-thiazol-2-yl)propan-1-ol with MolForge

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Launch Full Analysis

Related Compounds

2-tert-butylpyrazine;3-tert-butylpyridazine;2-tert-butyl-1,3-thiazole
CID 157287344
tert-butylbenzene;2-tert-butylpyrazine;3-tert-butylpyridazine;2-tert-butylpyridine;2-tert-butylpyrimidine;ethane
CID 164964212
tert-butylbenzene;2-tert-butylpyrazine;bis(2-tert-butylpyridine);3-tert-butylpyridine;bis(2-tert-butylpyrimidine);5-tert-butylpyrimidine;methane
CID 159202689
cyclohexyl-phenyl-(1,3-thiazol-2-yl)methanol
CID 162419779
bis(tert-butylbenzene);bis(5-tert-butyl-1H-indole);bis(6-tert-butyl-1H-indole);2-tert-butylpyrazine;3-tert-butylpyridazine;bis(2-tert-butylpyridine);3-tert-butylpyridine;2-tert-butylpyrimidine;5-tert-butylpyrimidine;3-tert-butyl-1H-pyrrole
CID 157293680
1-(oxan-2-yl)-1-phenylethanol
CID 102596007
[(2R)-1-hydroxy-3,3-dimethyl-2-phenyl-1,1-dipyridin-3-ylbutan-2-yl]carbamic acid
CID 57425667
(1S)-2,2,2-trifluoro-1-phenyl-1-pyridin-2-ylethanol
CID 7018024
2,2-dimethyl-1-pyridin-2-yl-1-(6-pyridin-2-yl-2-pyridinyl)propan-1-ol
CID 102283028
tert-butylbenzene;1-tert-butylbicyclo[1.1.1]pentane;2-tert-butylpyridine;3-tert-butylpyridine
CID 157069723
2-phenyl-2-(1,3-thiazol-2-yl)propanamide
CID 67042074
2-(2-phenylpropan-2-yl)-4-(2-pyridin-2-ylpropan-2-yl)-1,3,5-triazine
CID 142355793

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-1,1-bis(1,3-thiazol-2-yl)propan-1-ol;bis(2,2-dimethyl-1,1-dipyridin-2-ylpropan-1-ol);2,2-dimethyl-1,1-dipyridin-3-ylpropan-1-ol;2,2-dimethyl-1-(6-methyl-2-pyridinyl)-1-(oxolan-2-yl)propan-1-ol;2,2-dimethyl-1-(oxolan-2-yl)-1-pyridazin-3-ylpropan-1-ol;2,2-dimethyl-1-phenyl-1-pyridin-2-ylpropan-1-ol;2,2-dimethyl-1-phenyl-1-pyridin-3-ylpropan-1-ol;2,2-dimethyl-1-pyrazin-2-yl-1-pyridin-2-ylpropan-1-ol;2,2-dimethyl-1-pyridazin-3-yl-1-pyridin-2-ylpropan-1-ol;bis(2,2-dimethyl-1-pyridin-2-yl-1-pyridin-3-ylpropan-1-ol);2,2-dimethyl-1-pyridin-2-yl-1-pyrimidin-2-ylpropan-1-ol;2,2-dimethyl-1-pyridin-2-yl-1-(1,3-thiazol-2-yl)propan-1-ol?
The IUPAC name of 2,2-dimethyl-1,1-bis(1,3-thiazol-2-yl)propan-1-ol;bis(2,2-dimethyl-1,1-dipyridin-2-ylpropan-1-ol);2,2-dimethyl-1,1-dipyridin-3-ylpropan-1-ol;2,2-dimethyl-1-(6-methyl-2-pyridinyl)-1-(oxolan-2-yl)propan-1-ol;2,2-dimethyl-1-(oxolan-2-yl)-1-pyridazin-3-ylpropan-1-ol;2,2-dimethyl-1-phenyl-1-pyridin-2-ylpropan-1-ol;2,2-dimethyl-1-phenyl-1-pyridin-3-ylpropan-1-ol;2,2-dimethyl-1-pyrazin-2-yl-1-pyridin-2-ylpropan-1-ol;2,2-dimethyl-1-pyridazin-3-yl-1-pyridin-2-ylpropan-1-ol;bis(2,2-dimethyl-1-pyridin-2-yl-1-pyridin-3-ylpropan-1-ol);2,2-dimethyl-1-pyridin-2-yl-1-pyrimidin-2-ylpropan-1-ol;2,2-dimethyl-1-pyridin-2-yl-1-(1,3-thiazol-2-yl)propan-1-ol (CID 158589648) is 2,2-dimethyl-1,1-bis(1,3-thiazol-2-yl)propan-1-ol;bis(2,2-dimethyl-1,1-dipyridin-2-ylpropan-1-ol);2,2-dimethyl-1,1-dipyridin-3-ylpropan-1-ol;2,2-dimethyl-1-(6-methyl-2-pyridinyl)-1-(oxolan-2-yl)propan-1-ol;2,2-dimethyl-1-(oxolan-2-yl)-1-pyridazin-3-ylpropan-1-ol;2,2-dimethyl-1-phenyl-1-pyridin-2-ylpropan-1-ol;2,2-dimethyl-1-phenyl-1-pyridin-3-ylpropan-1-ol;2,2-dimethyl-1-pyrazin-2-yl-1-pyridin-2-ylpropan-1-ol;2,2-dimethyl-1-pyridazin-3-yl-1-pyridin-2-ylpropan-1-ol;bis(2,2-dimethyl-1-pyridin-2-yl-1-pyridin-3-ylpropan-1-ol);2,2-dimethyl-1-pyridin-2-yl-1-pyrimidin-2-ylpropan-1-ol;2,2-dimethyl-1-pyridin-2-yl-1-(1,3-thiazol-2-yl)propan-1-ol.
What is the SMILES notation for 2,2-dimethyl-1,1-bis(1,3-thiazol-2-yl)propan-1-ol;bis(2,2-dimethyl-1,1-dipyridin-2-ylpropan-1-ol);2,2-dimethyl-1,1-dipyridin-3-ylpropan-1-ol;2,2-dimethyl-1-(6-methyl-2-pyridinyl)-1-(oxolan-2-yl)propan-1-ol;2,2-dimethyl-1-(oxolan-2-yl)-1-pyridazin-3-ylpropan-1-ol;2,2-dimethyl-1-phenyl-1-pyridin-2-ylpropan-1-ol;2,2-dimethyl-1-phenyl-1-pyridin-3-ylpropan-1-ol;2,2-dimethyl-1-pyrazin-2-yl-1-pyridin-2-ylpropan-1-ol;2,2-dimethyl-1-pyridazin-3-yl-1-pyridin-2-ylpropan-1-ol;bis(2,2-dimethyl-1-pyridin-2-yl-1-pyridin-3-ylpropan-1-ol);2,2-dimethyl-1-pyridin-2-yl-1-pyrimidin-2-ylpropan-1-ol;2,2-dimethyl-1-pyridin-2-yl-1-(1,3-thiazol-2-yl)propan-1-ol?
The canonical SMILES for 2,2-dimethyl-1,1-bis(1,3-thiazol-2-yl)propan-1-ol;bis(2,2-dimethyl-1,1-dipyridin-2-ylpropan-1-ol);2,2-dimethyl-1,1-dipyridin-3-ylpropan-1-ol;2,2-dimethyl-1-(6-methyl-2-pyridinyl)-1-(oxolan-2-yl)propan-1-ol;2,2-dimethyl-1-(oxolan-2-yl)-1-pyridazin-3-ylpropan-1-ol;2,2-dimethyl-1-phenyl-1-pyridin-2-ylpropan-1-ol;2,2-dimethyl-1-phenyl-1-pyridin-3-ylpropan-1-ol;2,2-dimethyl-1-pyrazin-2-yl-1-pyridin-2-ylpropan-1-ol;2,2-dimethyl-1-pyridazin-3-yl-1-pyridin-2-ylpropan-1-ol;bis(2,2-dimethyl-1-pyridin-2-yl-1-pyridin-3-ylpropan-1-ol);2,2-dimethyl-1-pyridin-2-yl-1-pyrimidin-2-ylpropan-1-ol;2,2-dimethyl-1-pyridin-2-yl-1-(1,3-thiazol-2-yl)propan-1-ol is CC(C)(C)C(O)(c1ccccc1)c1ccccn1.CC(C)(C)C(O)(c1ccccc1)c1cccnc1.CC(C)(C)C(O)(c1ccccn1)c1ccccn1.CC(C)(C)C(O)(c1ccccn1)c1ccccn1.CC(C)(C)C(O)(c1ccccn1)c1cccnn1.CC(C)(C)C(O)(c1ccccn1)c1cnccn1.CC(C)(C)C(O)(c1ccccn1)c1ncccn1.CC(C)(C)C(O)(c1ccccn1)c1nccs1.CC(C)(C)C(O)(c1cccnc1)c1ccccn1.CC(C)(C)C(O)(c1cccnc1)c1ccccn1.CC(C)(C)C(O)(c1cccnc1)c1cccnc1.CC(C)(C)C(O)(c1cccnn1)C1CCCO1.CC(C)(C)C(O)(c1nccs1)c1nccs1.Cc1cccc(C(O)(C2CCCO2)C(C)(C)C)n1.
What is the InChIKey of 2,2-dimethyl-1,1-bis(1,3-thiazol-2-yl)propan-1-ol;bis(2,2-dimethyl-1,1-dipyridin-2-ylpropan-1-ol);2,2-dimethyl-1,1-dipyridin-3-ylpropan-1-ol;2,2-dimethyl-1-(6-methyl-2-pyridinyl)-1-(oxolan-2-yl)propan-1-ol;2,2-dimethyl-1-(oxolan-2-yl)-1-pyridazin-3-ylpropan-1-ol;2,2-dimethyl-1-phenyl-1-pyridin-2-ylpropan-1-ol;2,2-dimethyl-1-phenyl-1-pyridin-3-ylpropan-1-ol;2,2-dimethyl-1-pyrazin-2-yl-1-pyridin-2-ylpropan-1-ol;2,2-dimethyl-1-pyridazin-3-yl-1-pyridin-2-ylpropan-1-ol;bis(2,2-dimethyl-1-pyridin-2-yl-1-pyridin-3-ylpropan-1-ol);2,2-dimethyl-1-pyridin-2-yl-1-pyrimidin-2-ylpropan-1-ol;2,2-dimethyl-1-pyridin-2-yl-1-(1,3-thiazol-2-yl)propan-1-ol?
The InChIKey is HUHCFSMVSGSJID-UHFFFAOYSA-N. The full InChI is InChI=1S/2C16H19NO.5C15H18N2O.C15H23NO2.3C14H17N3O.C13H20N2O2.C13H16N2OS.C11H14N2OS2/c1-15(2,3)16(18,13-9-5-4-6-10-13)14-11-7-8-12-17-14;1-15(2,3)16(18,13-8-5-4-6-9-13)14-10-7-11-17-12-14;1-14(2,3)15(18,12-6-4-8-16-10-12)13-7-5-9-17-11-13;2*1-14(2,3)15(18,12-8-4-6-10-16-12)13-9-5-7-11-17-13;2*1-14(2,3)15(18,12-7-6-9-16-11-12)13-8-4-5-10-17-13;1-11-7-5-8-12(16-11)15(17,14(2,3)4)13-9-6-10-18-13;1-13(2,3)14(18,11-7-4-5-9-15-11)12-8-6-10-16-17-12;1-13(2,3)14(18,11-7-4-5-8-15-11)12-16-9-6-10-17-12;1-13(2,3)14(18,11-6-4-5-7-16-11)12-10-15-8-9-17-12;1-12(2,3)13(16,11-7-5-9-17-11)10-6-4-8-14-15-10;1-12(2,3)13(16,11-15-8-9-17-11)10-6-4-5-7-14-10;1-10(2,3)11(14,8-12-4-6-15-8)9-13-5-7-16-9/h2*4-12,18H,1-3H3;5*4-11,18H,1-3H3;5,7-8,13,17H,6,9-10H2,1-4H3;3*4-10,18H,1-3H3;4,6,8,11,16H,5,7,9H2,1-3H3;4-9,16H,1-3H3;4-7,14H,1-3H3.
What are the key properties of 2,2-dimethyl-1,1-bis(1,3-thiazol-2-yl)propan-1-ol;bis(2,2-dimethyl-1,1-dipyridin-2-ylpropan-1-ol);2,2-dimethyl-1,1-dipyridin-3-ylpropan-1-ol;2,2-dimethyl-1-(6-methyl-2-pyridinyl)-1-(oxolan-2-yl)propan-1-ol;2,2-dimethyl-1-(oxolan-2-yl)-1-pyridazin-3-ylpropan-1-ol;2,2-dimethyl-1-phenyl-1-pyridin-2-ylpropan-1-ol;2,2-dimethyl-1-phenyl-1-pyridin-3-ylpropan-1-ol;2,2-dimethyl-1-pyrazin-2-yl-1-pyridin-2-ylpropan-1-ol;2,2-dimethyl-1-pyridazin-3-yl-1-pyridin-2-ylpropan-1-ol;bis(2,2-dimethyl-1-pyridin-2-yl-1-pyridin-3-ylpropan-1-ol);2,2-dimethyl-1-pyridin-2-yl-1-pyrimidin-2-ylpropan-1-ol;2,2-dimethyl-1-pyridin-2-yl-1-(1,3-thiazol-2-yl)propan-1-ol?
2,2-dimethyl-1,1-bis(1,3-thiazol-2-yl)propan-1-ol;bis(2,2-dimethyl-1,1-dipyridin-2-ylpropan-1-ol);2,2-dimethyl-1,1-dipyridin-3-ylpropan-1-ol;2,2-dimethyl-1-(6-methyl-2-pyridinyl)-1-(oxolan-2-yl)propan-1-ol;2,2-dimethyl-1-(oxolan-2-yl)-1-pyridazin-3-ylpropan-1-ol;2,2-dimethyl-1-phenyl-1-pyridin-2-ylpropan-1-ol;2,2-dimethyl-1-phenyl-1-pyridin-3-ylpropan-1-ol;2,2-dimethyl-1-pyrazin-2-yl-1-pyridin-2-ylpropan-1-ol;2,2-dimethyl-1-pyridazin-3-yl-1-pyridin-2-ylpropan-1-ol;bis(2,2-dimethyl-1-pyridin-2-yl-1-pyridin-3-ylpropan-1-ol);2,2-dimethyl-1-pyridin-2-yl-1-pyrimidin-2-ylpropan-1-ol;2,2-dimethyl-1-pyridin-2-yl-1-(1,3-thiazol-2-yl)propan-1-ol has a molecular weight of 3412.61 g/mol, XLogP of 37.37, 28 rotatable bonds, 14 hydrogen bond donors, and 47 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-1,1-bis(1,3-thiazol-2-yl)propan-1-ol;bis(2,2-dimethyl-1,1-dipyridin-2-ylpropan-1-ol);2,2-dimethyl-1,1-dipyridin-3-ylpropan-1-ol;2,2-dimethyl-1-(6-methyl-2-pyridinyl)-1-(oxolan-2-yl)propan-1-ol;2,2-dimethyl-1-(oxolan-2-yl)-1-pyridazin-3-ylpropan-1-ol;2,2-dimethyl-1-phenyl-1-pyridin-2-ylpropan-1-ol;2,2-dimethyl-1-phenyl-1-pyridin-3-ylpropan-1-ol;2,2-dimethyl-1-pyrazin-2-yl-1-pyridin-2-ylpropan-1-ol;2,2-dimethyl-1-pyridazin-3-yl-1-pyridin-2-ylpropan-1-ol;bis(2,2-dimethyl-1-pyridin-2-yl-1-pyridin-3-ylpropan-1-ol);2,2-dimethyl-1-pyridin-2-yl-1-pyrimidin-2-ylpropan-1-ol;2,2-dimethyl-1-pyridin-2-yl-1-(1,3-thiazol-2-yl)propan-1-ol is sourced from PubChem (CID 158589648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).